4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole

C22H16ClFN2O — CID 174957201

IUPAC4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole
SMILESCOc1ccc(-c2ccccc2-n2ncc(Cl)c2-c2ccccc2F)cc1
InChIInChI=1S/C22H16ClFN2O/c1-27-16-12-10-15(11-13-16)17-6-3-5-9-21(17)26-22(19(23)14-25-26)18-7-2-4-8-20(18)24/h2-14H,1H3
InChIKeySSKJAOPGIRZPKJ-UHFFFAOYSA-N
MW378.83 g/mol
LogP6.01
Rot. Bonds4

About 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole

4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole (PubChem CID 174957201) has the molecular formula C22H16ClFN2O and a molecular weight of 378.83 g/mol. Its IUPAC name is 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole
PubChem CID174957201
Molecular FormulaC22H16ClFN2O
Molecular Weight378.83 g/mol
Exact Mass378.09
IUPAC Name4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole
SMILESCOc1ccc(-c2ccccc2-n2ncc(Cl)c2-c2ccccc2F)cc1
InChIInChI=1S/C22H16ClFN2O/c1-27-16-12-10-15(11-13-16)17-6-3-5-9-21(17)26-22(19(23)14-25-26)18-7-2-4-8-20(18)24/h2-14H,1H3
InChIKeySSKJAOPGIRZPKJ-UHFFFAOYSA-N
XLogP6.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole?
The IUPAC name of 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole (CID 174957201) is 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole?
The canonical SMILES for 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole is COc1ccc(-c2ccccc2-n2ncc(Cl)c2-c2ccccc2F)cc1.
What is the InChIKey of 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole?
The InChIKey is SSKJAOPGIRZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O/c1-27-16-12-10-15(11-13-16)17-6-3-5-9-21(17)26-22(19(23)14-25-26)18-7-2-4-8-20(18)24/h2-14H,1H3.
What are the key properties of 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole?
4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole has a molecular weight of 378.83 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole is sourced from PubChem (CID 174957201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).